(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine

C16H19NOS — CID 115853757

IUPAC(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1ccccc1SC
InChIInChI=1S/C16H19NOS/c1-3-18-14-10-6-4-8-12(14)16(17)13-9-5-7-11-15(13)19-2/h4-11,16H,3,17H2,1-2H3
InChIKeyWNZULCNXTLBDBA-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.86
Rot. Bonds5

About (2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine

(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine (PubChem CID 115853757) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
PubChem CID115853757
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1ccccc1SC
InChIInChI=1S/C16H19NOS/c1-3-18-14-10-6-4-8-12(14)16(17)13-9-5-7-11-15(13)19-2/h4-11,16H,3,17H2,1-2H3
InChIKeyWNZULCNXTLBDBA-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
CID 43345009
(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
CID 115853550
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of (2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine (CID 115853757) is (2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for (2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine is CCOc1ccccc1C(N)c1ccccc1SC.
What is the InChIKey of (2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine?
The InChIKey is WNZULCNXTLBDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-18-14-10-6-4-8-12(14)16(17)13-9-5-7-11-15(13)19-2/h4-11,16H,3,17H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine?
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 115853757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).